(2-methyl-6-phenylmethoxyphenyl) acetate

C16H16O3 — CID 67719682

IUPAC(2-methyl-6-phenylmethoxyphenyl) acetate
SMILESCC(=O)Oc1c(C)cccc1OCc1ccccc1
InChIInChI=1S/C16H16O3/c1-12-7-6-10-15(16(12)19-13(2)17)18-11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3
InChIKeyGWHVPIBKOBZMQQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.50
Rot. Bonds4

About (2-methyl-6-phenylmethoxyphenyl) acetate

(2-methyl-6-phenylmethoxyphenyl) acetate (PubChem CID 67719682) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2-methyl-6-phenylmethoxyphenyl) acetate.

Molecular Properties

Compound Name(2-methyl-6-phenylmethoxyphenyl) acetate
PubChem CID67719682
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2-methyl-6-phenylmethoxyphenyl) acetate
SMILESCC(=O)Oc1c(C)cccc1OCc1ccccc1
InChIInChI=1S/C16H16O3/c1-12-7-6-10-15(16(12)19-13(2)17)18-11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3
InChIKeyGWHVPIBKOBZMQQ-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-methyl-6-phenylmethoxyphenyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-6-phenoxyphenyl) acetate
CID 163299035
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
(3-fluoro-2-phenylmethoxyphenyl) acetate
CID 10491566
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate
CID 10043459
[2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate
CID 141220884
1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
CID 20716241
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-phenylmethoxyphenyl) acetate?
The IUPAC name of (2-methyl-6-phenylmethoxyphenyl) acetate (CID 67719682) is (2-methyl-6-phenylmethoxyphenyl) acetate.
What is the SMILES notation for (2-methyl-6-phenylmethoxyphenyl) acetate?
The canonical SMILES for (2-methyl-6-phenylmethoxyphenyl) acetate is CC(=O)Oc1c(C)cccc1OCc1ccccc1.
What is the InChIKey of (2-methyl-6-phenylmethoxyphenyl) acetate?
The InChIKey is GWHVPIBKOBZMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-7-6-10-15(16(12)19-13(2)17)18-11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3.
What are the key properties of (2-methyl-6-phenylmethoxyphenyl) acetate?
(2-methyl-6-phenylmethoxyphenyl) acetate has a molecular weight of 256.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-phenylmethoxyphenyl) acetate is sourced from PubChem (CID 67719682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).